159811-30-0
Product Name:
Toluene-4-sulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl
Formula:
C21H21F2N3O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 449.5 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 449.12208366 g/mol |
| Monoisotopic Mass | 449.12208366 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 701 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |